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CHEBI:169136 - (E)-4-Isothiocyanato-1-(methylthio)-1-butene

Default Structure
ChEBI IDCHEBI:169136
ChEBI Name(E)-4-Isothiocyanato-1-(methylthio)-1-butene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H9NS2
Net Charge0
Average Mass159.279
Monoisotopic Mass159.01764
SMILESCS/C=C\CCN=C=S
InChIInChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3/b5-3-
InChIKeyRYSPJKHYSHFYEB-HYXAFXHYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(E)-4-Isothiocyanato-1-(methylthio)-1-butene (CHEBI:169136) is a isothiocyanate (CHEBI:52221)
IUPAC Name 
(Z)-4-isothiocyanato-1-methylsulanylbut-1-ene
Manual XrefsDatabases
30776908ChemSpider
HMDB0031576HMDB